8008-4462 Screening compound: 2-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

8008-4462 Screening compound: 2-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
8008-4462 Screening compound: 2-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4462
2-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8008-4462

Molecular Formula

C15H14N2OS (C15 H14 N2 OS)

Compound Name

2-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

2-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

COc1ccc(CSc2nc(cccc3)c3[nH]2)cc1

InChI

InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)

InChI Key

SFNVMKKUISRNFE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.23

Polar Surface Area

25.524

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8008-4462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4462?
Check Price and Availability of 8008-4462, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-4462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4462
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8008-4462 available by request